Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate
TL;DR: Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate (CAS 391876-25-8) is a chemical compound with molecular formula C27H25NO2 and molecular weight 395.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[isoquinolin-1-yl(phenyl)methyl] 4-tert-butylbenzoate
Also Known As: UPCMLD0ENAT5466260:001, (isoquinolin-1-yl)(phenyl)methyl 4-tert-butylbenzoate, isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate, isoquinolylphenylmethyl 4-(tert-butyl)benzoate, (1-isoquinolyl)phenylmethyl p-tert-butylbenzoate
| Molecular Formula | C27H25NO2 |
|---|---|
| Molecular Weight | 395.19 g/mol |
| LogP | 6.4787 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.18854 |
| Heavy Atoms | 30 |
| Complexity | 1153.5854 |
Chemical Identifiers
| CAS Number | 391876-25-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C3=NC=CC4=CC=CC=C43 |
Product Overview
Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate (CAS 391876-25-8), with molecular formula C27H25NO2 and molecular weight 395.19 g/mol. IUPAC: [isoquinolin-1-yl(phenyl)methyl] 4-tert-butylbenzoate.
Chemical Property Profile of Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate
Property Insights of Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate
The XLogP value of 6.4787 indicates that Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate?
The CAS number of Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate is 391876-25-8.
What is the molecular formula of Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate?
The molecular formula of Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate is C27H25NO2.
What is the molecular weight of Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate?
The molecular weight of Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate is 395.19 g/mol.
Where can I buy Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate?
You can request a quote for Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolin-1-yl(phenyl)methyl 4-(tert-butyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.